2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide

C25H19Cl2N5O — CID 54445102

IUPAC2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1Cn1cncc1-c1ccccc1
InChIInChI=1S/C25H19Cl2N5O/c1-16-22(14-31-15-28-13-21(31)17-7-3-2-4-8-17)32-12-6-11-20(24(32)29-16)30-25(33)23-18(26)9-5-10-19(23)27/h2-13,15H,14H2,1H3,(H,30,33)
InChIKeyWQXZECRCDPOTBN-UHFFFAOYSA-N
MW476.37 g/mol
LogP6.11
Rot. Bonds5

About 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 54445102) has the molecular formula C25H19Cl2N5O and a molecular weight of 476.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID54445102
Molecular FormulaC25H19Cl2N5O
Molecular Weight476.37 g/mol
Exact Mass475.10
IUPAC Name2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1Cn1cncc1-c1ccccc1
InChIInChI=1S/C25H19Cl2N5O/c1-16-22(14-31-15-28-13-21(31)17-7-3-2-4-8-17)32-12-6-11-20(24(32)29-16)30-25(33)23-18(26)9-5-10-19(23)27/h2-13,15H,14H2,1H3,(H,30,33)
InChIKeyWQXZECRCDPOTBN-UHFFFAOYSA-N
XLogP6.11
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide (CID 54445102) is 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1Cn1cncc1-c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is WQXZECRCDPOTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O/c1-16-22(14-31-15-28-13-21(31)17-7-3-2-4-8-17)32-12-6-11-20(24(32)29-16)30-25(33)23-18(26)9-5-10-19(23)27/h2-13,15H,14H2,1H3,(H,30,33).
What are the key properties of 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 476.37 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-3-[(5-phenylimidazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 54445102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).